SCHEMBL6806673

SCHEMBL6806673

Cc1cc(C)c(C(C(=O)O)C(=O)O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TPMT P51580 1/20 0.41
ALDH1A1 P00352 2/20 0.38
IGFBP3 P17936 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SRC P12931 2/20 0.36
HCAR1 Q9BXC0 1/20 0.35
FABP4 P15090 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21268965 0.98 KDM4E (0.41) KDM4ETPMTALDH1A1IGFBP3SLC6A2
SCHEMBL21269629 0.98 KDM4E (0.41) KDM4ETPMTALDH1A1IGFBP3SLC6A2
SCHEMBL21269842 0.98 KDM4E (0.41) KDM4ETPMTALDH1A1IGFBP3SLC6A2
SCHEMBL28016266 0.89 KDM4E (0.38) KDM4ETPMTALDH1A1IGFBP3SLC6A2
SCHEMBL6838455 0.87 ALDH1A1 (0.42) KDM4ETPMTALDH1A1IGFBP3CA1
SCHEMBL6839567 0.86 ALDH1A1 (0.37) KDM4ETPMTALDH1A1IGFBP3SLC6A2
SCHEMBL15841100 0.86 KDM4E (0.37) KDM4ETPMTALDH1A1IGFBP3SLC6A2
SCHEMBL6838447 0.82 ALDH1A1 (0.36) KDM4EALDH1A1SRCTDP1HPGD
SCHEMBL14490811 0.81 ALDH1A1 (0.38) KDM4ETPMTALDH1A1IGFBP3SLC6A2
SCHEMBL6807941 0.81 KDM4E (0.42) KDM4ETPMTALDH1A1IGFBP3SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868714-B2 Pyrone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY (JP) 2018-01-16 US disclosed
US-9868714-B2 Pyrone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY (JP) 2018-01-16 US disclosed
EP-2906557-B1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL CO (JP) 2016-11-30 EP disclosed
US-20150274691-A1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2015-10-01 US disclosed
US-20150274691-A1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2015-10-01 US disclosed
WO-2014058037-A1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-04-17 WO disclosed
US-20040198797-A1 Process for the preparation of herbicidal derivatives MAETZKE THOMAS (CH) 2004-10-07 US disclosed
EP-1183317-B1 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-09-17 EP disclosed
US-6552187-B1 Cyclization condensation of arylmalonic acid diamides or arylmalonic acid monoamides with hydrazine derivatives forming substituted 3-hydroxy-4-aryl-5-oxopyrazolines; high yield and purity SYNGENTA CROP PROTECTION, INC. 2003-04-22 US disclosed
EP-1185506-A1 SUBSTITUTED ARYLMALONIC ACID DINITRILES AS INTERMEDIATES FOR THE PREPARATION OF HERBICIDES Syngenta Participations AG (CH) 2002-03-13 EP disclosed
EP-1183317-A2 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES Syngenta Participations AG (CH) 2002-03-06 EP disclosed
WO-2000078712-A1 SUBSTITUTED ARYLMALONIC ACID DINITRILES AS INTERMEDIATES FOR THE PREPARTION OF HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-12-28 WO disclosed
WO-2000078881-A2 PROCESS FOR THE PREPARATION OF HERBICIDAL DERIVATIVES SYGENTA PARTICIPATIONS AG (CH) 2000-12-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150274691-A1 PYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME CBR3, NOTUM, DDT KDM4E 310/4885TPMT 1118/4885ALDH1A1 1109/4885
US-20040198797-A1 Process for the preparation of herbicidal derivatives CBR3, CBR1, CYC1 KDM4E 2182/4885TPMT 3499/4885ALDH1A1 254/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.